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13214-29-4 | Propane, 1,1-dimethoxy-3-(methylthio)-
CAS No: 13214-29-4 Catalog No: AG0010AO MDL No:
Product Description
Catalog Number:
AG0010AO
Chemical Name:
Propane, 1,1-dimethoxy-3-(methylthio)-
CAS Number:
13214-29-4
Molecular Formula:
C6H14O2S
Molecular Weight:
150.2392
IUPAC Name:
1,1-dimethoxy-3-methylsulfanylpropane
InChI:
InChI=1S/C6H14O2S/c1-7-6(8-2)4-5-9-3/h6H,4-5H2,1-3H3
InChI Key:
BNYOSIKNPOOYIQ-UHFFFAOYSA-N
SMILES:
CSCCC(OC)OC
EC Number:
236-184-6
Properties
Complexity:
55
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.071g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.236g/mol
Monoisotopic Mass:
150.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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